N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide

C12H19N3OS — CID 8750027

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)7-10-14-15-12(17-10)13-11(16)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyJBBMEGWDDOVANX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.87
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (PubChem CID 8750027) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
PubChem CID8750027
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)7-10-14-15-12(17-10)13-11(16)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyJBBMEGWDDOVANX-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (CID 8750027) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide is CC(C)Cc1nnc(NC(=O)C2CCCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is JBBMEGWDDOVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)7-10-14-15-12(17-10)13-11(16)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 8750027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).